Electronic structure of (BP)n/(BAs)n (0 0 1) superlattices

An accurate ab initio full potential linear muffin-tin orbital method has been used to investigate the structural, electronic and optical properties of BP, BAs and their (BP)_n/(BAs)_n superlattices (SLs). The exchange-correlation potential is treated with the local density approximation of Perdew and Wang (LDA-PW). The calculated structural properties of BP and BAs compounds are in good agreement with available experimental and theoretical data. It is found that BP, BAs and their alloys exhibit an indirect fundamental band gap. The fundamental band gap decreases with increasing the number of monolayer n. The optical properties show that the static dielectric constant significantly decreases in superlattices compared to their binary compounds.     

Ground state energy of the electron-hole liquid in type-II (GaAs)m/(AlAs)m quantum wells

The ground state energy of quasi-two-dimensional electron-hole liquid (EHL) at zero temperature is calculated for type-II (GaAs)_m/(AlAs)_m (5≤m≤10) quantum wells (QWs). The correlation effects of Coulomb interaction are taken into account by a random phase approximation of Hubbard. Our EHL ground state energy per electron-hole pair is lower than the exciton energy calculated recently for superlattices, so we expected that EHL is more stable state than excitons at high excitation density. It is also demonstrated that the equilibrium density of EHL in type-II GaAs/AlAs QWs is of one order of magnitude larger than that in type-I GaAs/AlAs QWs.     

FTIR-spectroscopy of (GaAS)n/(AlAs)m superlattices

The optical properties of (GaAs)_n/(AlAs)_m superlattices in the infra-red spectral region have been studied. The confinement of optical phonons has been observed in both GaAs and AlAs layers of superlattices under investigation. The superlattice modes caused by the coupling between LO phonons and collective intersubband excitations have been found in doped superlattices. Macroscopic and microscopic calculations have been used for the analysis of experimental results. Good agreement with experiment has been obtained.     

Photoreflectance study of folded above-barrier states in (InAs)1/(GaAs)m strained-layer superlattices

We have performed a photoreflectance study of the above-barrier states in (InAs)₁/(GaAs)_m strained-layer superlattices (m=10 and 30 monolayers) grown on a (001) GaAs substrate by molecular-beam epitaxy. We have clearly observed the optical transitions associated with the above-barrier states at the Γ and π (mini-Brillouin-zone edge) points. The layer-thickness dependence of the transition energies is explained by the zone-folding effect on the above-barrier states based on a simple Kronig-Penney analysis taking account of the lattice-misfit strain effects.     

Cu addition and its role in thermoelectric properties and nanostructuring in the series compounds (InSb)nCum

We have performed a comparative investigation of the series compounds (InSb)_nCu_m to assess the roles of Cu addition on the thermoelectric properties and nanostructuring in bulk InSb. Detailed temperature dependent transport properties including electrical conductivity, the Seebeck coefficient, and thermal conductivity are presented. The Seebeck coefficients of In₂₀Sb₂₀Cu (m:n = 1:20) are increased by 13 percent in magnitude if compared to those of InSb, which is responsible for the 22 percent enhancement in the highest ZT value at 687 K. Although the magnitudes of κ_L are larger than those of InSb over the entire temperature range, a remarkable reduction in lattice thermal conductivities (κ_L) was observed with measuring temperature elevation. Such changes are mainly due to the precipitation of a large number of Cu₉In₄ nanoparticles with the size of smaller than 5 nm, dispersed in the matrix observed using high resolution transmission electron microscopy (HRTEM) images.     

应变层超晶格(InAs)n(InP)n(001)电子结构的LMTO计算

基于Linearized-Muffin-Tin Orbitals(LMTO)能带方法,采用内部求和计入空d轨道的处理,对(InAs)_n(InP)_n(001),(n=1,2,3)应变层超晶格的电子结构进行了第一性原理计算。得出了其能带结构,态密度分布(对n=1)。考察了In4d轨道对能带计算的影响,并采用冻结势方法求出了(InAs)_n(InP)_n(001),(n=1,2,3)的价带边不连续值△E_v。 关键词：     

Phonon-plasmon interaction in tunneling GaAs/AlAs superlattices

The phonon-plasmon interaction in tunneling GaAs _n /AlAs _m superlattices (m=5and 6≥n≥0.6 monolayers) was studied by Raman scattering spectroscopy. The interaction of optical phonons localized in GaAs and AlAs layers with quasi-three-dimensional plasmons strengthens as the thickness of GaAs quantum wells decreases and the electronic states in the superlattices become delocalized due to tunneling. It is assumed that the plasmons also interact with the TO-like phonon modes localized in quantum islands or in thin ruffled layers.     

Ultrathin (CoFe/Pt)n multilayers with tuned magnetic properties

Perpendicular magnetic anisotropy (PMA) has been investigated in ultrathin (CoFe [0.2] nm/Pt [0.2] nm)_n multilayers. The Pt layers show an fcc crystal structure with a preferred [111] orientation. The multilayers with n=3, 4 show PMA in the as-grown state, which can be enhanced by thermal annealing. However, no PMA is observed in the as-grown state with higher repetitions (n>&=5), although it is observed after thermal annealing. For 1=&<n=&<8, the anisotropy energy is around 10⁵ J/m³ for all (CoFe [0.2]/Pt [0.2])_n stacks. The perpendicular anisotropy is related to layer thickness and interface roughness.     

Photoreflectance study of InAs quantum dots on GaAs(n 1 1) substrates

InAs self-assembling quantum dots (SAQDs) were grown on GaAs(n 1 1) substrates (n=2,3,4,5) by molecular beam epitaxy. Their structural and optical properties were studied by reflection high-energy electron diffraction, atomic force microscopy (AFM) and photoreflectance spectroscopy (PR). The PR spectra from 0.7 to 1.3 eV presented transitions associated to the SAQDs. The energy transitions were obtained by fitting the PR spectra employing the third derivative line-shape model. For n=2,4,5, two functions were required to fit the spectra. For n=3 only one function was required, in agreement with the more uniform SAQDs size distribution observed by AFM on GaAs(3 1 1)A. Franz–Keldysh oscillations (FKO) were observed in the PR spectra at energies higher than the GaAs band gap. From the FKO analysis we obtained the GaAs built-in internal electric field strength (F_int) at the InAs/GaAs(n 1 1) heterointerface. From F_int we made an estimation of the GaAs strain at the heterointerface.     

Structural and optical properties of In0.5Ga0.5As/GaAs quantum dots in an In0.1Ga0.9As well using repeated depositions of InAs/GaAs short-period superlattices for the application of optical communication

We report structural and optical properties of In_0.5Ga_0.5As/GaAs quantum dots (QDs) in a 100 Å-thick In_0.1Ga_0.9As well grown by repeated depositions of InAs/GaAs short-period superlattices with atomic force microscope, transmission electron microscope (TEM) and photoluminescence (PL) measurement. The QDs in an InGaAs well grown at 510 °C were studied as a function of n repeated deposition of 1 monolayer thick InAs and 1 monolayer thick GaAs for n=5–10. The heights, widths and densities of dots are in the range of 6–22.0 nm, 40–85 nm, and 1.6–1.1×10¹⁰/cm², respectively, as n changes from 5 to 10 with strong alignment along [1 −1 0] direction. Flat and pan-cake-like shape of the QDs in a well is found in TEM images. The bottoms of the QDs are located lower than the center of the InGaAs well. This reveals that there was intermixing—interdiffusion—of group III materials between the InGaAs QD and the InGaAs well during growth. All reported dots show strong 300 K-PL spectrum, and 1.276 μm (FWHM: 32.3 meV) of 300 K-PL peak was obtained in case of 7 periods of the QDs in a well, which is useful for the application to optical communications.     

Selective growth of InAs islands on patterned GaAs (100) substrate

By a combination of prepatterned substrate and self-organized growth, InAs islands are grown on the stripe-patterned GaAs (100) substrate by solid-source molecular beam epitaxy. It is found that the InAs quantum dots can be formed either on the ridge or on the sidewall of the stripes near the bottom, depending on the structure of the stripes on the patterned substrate or molecular beam epitaxy growth conditions. When a In_xGa_1−xAs strained layer is grown first before InAs deposition, almost all the InAs quantum dots are deposited at the edges of the top ridge. And when the InAs deposition amount is larger, a quasi-quantum wire structure is found. The optical properties of the InAs dots on the patterned substrate are also investigated by photoluminescence.     

第一原理研究界面弛豫对InAs/GaSb超晶格界面结构、能带结构和光学性质的影响

通过广义梯度近似的第一原理全电子相对论计算, 研究了不同界面类型InAs/GaSb超晶格的界面结构、电子和光吸收特性. 由于四原子界面的复杂性和低对称性, 通过对InAs/GaSb超晶格进行电子总能量和应力最小化来确定弛豫界面的结构参数. 计算了InSb, GaAs型界面和非特殊界面(二者交替)超晶格的能带结构和光吸收谱, 考察了超晶格界面层原子发生弛豫的影响.为了证实能带结构的计算结果, 用局域密度近似和Hartree-Fock泛函的平面波方法进行了计算. 对不同界面类型InAs/GaSb超晶格的能带结构计算结果进行了比较, 发现界面Sb原子的化学键和离子性对InAs/GaSb超晶格的界面结构、 能带结构和光学特性起着至关重要的作用.     

Band-edge exciton transitions temperature in multiple stacked self-assembled (In1−xMnx)As quantum dot arrays

Multiple stacked self-assembled (In_1−xMn_x)As quantum-dot (QD) arrays were grown on GaAs (100) substrates by using molecular-beam epitaxy with a goal of producing (In_1−xMn_x)As QDs with a semiconductor phase and a high ferromagnetic transition temperature (T_c). Atomic force microscopy, magnetic force microscopy, high-resolution transmission electron microscopy, and energy dispersive X-ray fluorescence measurements showed that crystalline multiple stacked (In_0.84Mn_0.16)As with symmetric single-domain particle were formed on GaAs substrates. Near-field scanning optical spectroscopy spectra at 10 K for the (In_0.84Mn_0.16)As multiple stacked QDs showed that the band-edge exciton transitions were observed. The magnetization curve as a function of the magnetic field at 5 and 300 K indicated that the multiple stacked (In_0.84Mn_0.16)As QDs were ferromagnetic, and the magnetization curve as a function of the temperature showed that the T_c was as high as 400 K. These results provide important information on the optical and magnetic properties for enhancing the T_c of (In_1−xMn_x)As-based nanostructures.     

Raman scattering from GaAs-InxGa1−xAs strained-layer superllatices

Measurements of Raman scattering were performed on GaAs-In_xGa_1?xAs strained-layer superlattices, grown by molecular beam epitaxy, with lattice periods ranging from 30 ～ 250 Å and In concentrations x, 0.22 and 0.37. Only one GaAs-like longitudinal optical phonon peak was observed in each strained-layer superlattice, in contrast to the well-known result that two peaks were observed in GaAs-Al_xGa_1?xAs superlattices. The GaAs-like phonon frequencies shifted from those of bulk GaAs to those of bulk In_xGa_1?xAs alloys as the ratio of the one-layer thickness of In_xGa_1?xAs to the lattice period increases from zero to one. We conclude that the GaAs-like phonon mode is a uniform mode of the whole strained-layer superlattice and the phonon frequency is determined by the averaged In concentration.     

Rigid lattice NMR spectra of proton conductors H(H2O)nSbO3

The “rigid lattice” ¹H NMR spectra of H(H₂O)_nSbO₃ have been interpreted for n=0.20, 0.92 and 1. For n?0.92 the compounds contain deformed H₃O⁺ ions and OH groups. For n=1 the real formula is (H₃O)_0.7H_0.3SbO₃,0.3 H₂O. The results are discussed in relation to the level of proton conductivity.     

Interband transitions and electronic properties of InAs/GaAs quantum dots embedded in AlxGa1−xAs/GaAs modulation-doped heterostructures

Reflection high-energy electron diffraction, atomic force microscopy, transmission electron microscopy, and double-crystal X-ray curves showed that high-quality InAs quantum dot (QD) arrays inserted into GaAs barriers were embedded in an Al_0.3Ga_0.7As/GaAs heterostructure. The temperature-dependent photoluminescence (PL) spectra of the InAs/GaAs QDs showed that the exciton peak corresponding interband transition from the ground electronic subband to the ground heavy-hole subband (E₁-HH₁) was dominantly observed and that the peak position and the full width at half maximum corresponding to the interband transitions of the PL spectrum were dependent on the temperature. The activation energy of the electrons confined in the InAs/GaAs QDs was 115 meV. The electronic subband energy and the energy wave function of the Al_0.3Ga_0.7As/GaAs heterostructures were calculated by using a self-consistent method. The electronic subband energies in the InAs/GaAs QDs were calculated by using a three-dimensional spatial plane wave method, and the value of the calculated (E₁-HH₁) transition in the InAs/GaAs QDs was in reasonable agreement with that obtained from the PL measurement.     

Third-order optical nonlinearities of lead-free (Na1−xKx)0.5Bi0.5TiO3 thin films

(Na_1−xK_x)_0.5Bi_0.5TiO₃ (NKBT) (x = 0.1, 0.2, and 0.3) thin films with good surface morphology and rhombohedral perovskite structure were fabricated on quartz substrates by a sol-gel process. The fundamental optical constants (the band gaps, linear refractive indices and absorption coefficients) of the films were obtained through optical transmittance measurements. The nonlinear optical properties were investigated by Z-scan technique performed at 532 nm with a picosecond laser. A two-photon absorption effect closely related with potassium-doping content was found in thin films, and the nonlinear refractive index n₂ increases evidently with potassium-doping. The real part of the third-order nonlinear susceptibility χ⁽³⁾ is much larger than its imaginary part, indicating that the third-order optical nonlinear response of the NKBT films is dominated by the optical nonlinear refractive behavior. These results show that NKBT thin films have potential applications in nonlinear optics.     

(Si)n/(Ge)n超晶格几何结构

本文用Keating模型计算了Si_1-xGe_x(x=0—1)作衬底、沿(100)方向生长的(Si)_n/(Ge)_n(n=1—6)应力超晶格的几何结构,并讨论了衬底对超晶格生长的影响,计算结果发现对于(Si)_n/(Ge)_n超晶格,用适当的Si_1-xGe_x作衬底有利于超晶格的生长。 关键词：     

FP-LMTO study of structural,electronic and optical properties of wurtzite (CdS)n/(CdSe)n superlattices

In this paper, we have conducted a first-principles study of the structural, electronic and optical properties of (CdS)_n/(CdSe)_n superlattices (where n is numbers of monolayers) in the wurtzite phase (B4), using the Full-Potential Linear Muffin-Tin Orbital (FP-LMTO) method within the Local Density Approximation (LDA) technique, in order to describe the exchange correlation energy. The calculated electronic properties indicate that all (CdS)_n/(CdSe)_n superlattices configurations, possess a semiconductor behavior with same energy gaps. We have seen more carefully and accurately that the different superlattices configurations have no effect on the electronic properties; in particular, we did not observe any dependence between the band gap behavior and the used layers.     

Photoluminescence and the structure of heterointerfaces of (311)A-and (311)B-oriented GaAs/AlAs superlattices

GaAs/AlAs superlattices grown simultaneously on GaAs substrates with the (311)A and (311)B orientations have been studied by photoluminescence and high-resolution transmission electron microscopy with a Fourier analysis of images. A periodic interface corrugation is observed for (311)B superlattices. A comparison of the structure of (311)A and (311)B superlattices indicates that the corrugation occurs in both cases and its period along the $[01\overline 1 ]$ direction is equal to 3.2 nm. The corrugation is less pronounced in (311)B superlattices, wherein it exhibits an additional modulation (long-wavelength disorder) with the characteristic lateral size exceeding 10 nm. The vertical correlation of regions rich in GaAs and AlAs, which is well observed in (311)A superlattices, is weak in (311)B superlattices due to the occurrence of long-wavelength disorder. The optical properties of (311)B superlattices are similar to those of (100) ones and differ radically from those of (311)A superlattices. As distinct from (311)B, strong photoluminescence polarization anisotropy is observed for (311)A superlattices. It is shown that it is the interface corrugation rather than the crystallographic (311) surface orientation that determines the optical properties of (311)A corrugated superlattices with thin GaAs and AlAs layers.